data_10175 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 556-588) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10175 _BMRB_flat_file_name bmr10175.str _Entry_type original _Submission_date 2008-01-31 _Accession_date 2008-02-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 195 "13C chemical shifts" 145 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 original author . stop_ _Original_release_date 2009-02-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 556-588) of human Zinc finger protein 28 homolog ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 28 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zf-C2H2 $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common zf-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYECDVCRK AFSHHASLTQHQRVHSGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 GLU 15 CYS 16 ASP 17 VAL 18 CYS 19 ARG 20 LYS 21 ALA 22 PHE 23 SER 24 HIS 25 HIS 26 ALA 27 SER 28 LEU 29 THR 30 GLN 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 SER 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ENH "Solution Structure Of The C2h2 Type Zinc Finger (Region 556- 588) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 3.96e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P061225-32 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name zf-C2H2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY CA C 45.434 0.300 1 2 7 7 GLY HA2 H 4.025 0.030 1 3 7 7 GLY HA3 H 4.025 0.030 1 4 7 7 GLY C C 174.512 0.300 1 5 8 8 THR N N 112.809 0.300 1 6 8 8 THR H H 8.155 0.030 1 7 8 8 THR CA C 61.803 0.300 1 8 8 8 THR HA H 4.362 0.030 1 9 8 8 THR CB C 69.812 0.300 1 10 8 8 THR HB H 4.281 0.030 1 11 8 8 THR CG2 C 21.514 0.300 1 12 8 8 THR HG2 H 1.174 0.030 1 13 8 8 THR C C 175.229 0.300 1 14 9 9 GLY N N 111.010 0.300 1 15 9 9 GLY H H 8.454 0.030 1 16 9 9 GLY CA C 45.274 0.300 1 17 9 9 GLY HA2 H 3.960 0.030 2 18 9 9 GLY HA3 H 3.901 0.030 2 19 9 9 GLY C C 174.065 0.300 1 20 10 10 GLU N N 120.229 0.300 1 21 10 10 GLU H H 8.235 0.030 1 22 10 10 GLU CA C 56.899 0.300 1 23 10 10 GLU HA H 4.175 0.030 1 24 10 10 GLU CB C 30.419 0.300 1 25 10 10 GLU HB2 H 1.986 0.030 2 26 10 10 GLU HB3 H 1.878 0.030 2 27 10 10 GLU CG C 36.288 0.300 1 28 10 10 GLU HG2 H 2.246 0.030 1 29 10 10 GLU HG3 H 2.246 0.030 1 30 10 10 GLU C C 176.478 0.300 1 31 11 11 LYS N N 121.796 0.300 1 32 11 11 LYS H H 8.316 0.030 1 33 11 11 LYS CA C 53.820 0.300 1 34 11 11 LYS HA H 4.478 0.030 1 35 11 11 LYS CB C 33.093 0.300 1 36 11 11 LYS HB2 H 1.571 0.030 2 37 11 11 LYS HB3 H 1.446 0.030 2 38 11 11 LYS CG C 24.655 0.300 1 39 11 11 LYS HG2 H 1.183 0.030 2 40 11 11 LYS HG3 H 1.283 0.030 2 41 11 11 LYS CD C 29.453 0.300 1 42 11 11 LYS HD2 H 1.482 0.030 1 43 11 11 LYS HD3 H 1.482 0.030 1 44 11 11 LYS CE C 42.223 0.300 1 45 11 11 LYS HE2 H 2.893 0.030 1 46 11 11 LYS HE3 H 2.893 0.030 1 47 11 11 LYS C C 173.770 0.300 1 48 12 12 PRO CA C 63.394 0.300 1 49 12 12 PRO HA H 4.276 0.030 1 50 12 12 PRO CB C 32.241 0.300 1 51 12 12 PRO HB2 H 1.328 0.030 2 52 12 12 PRO HB3 H 2.006 0.030 2 53 12 12 PRO CG C 26.753 0.300 1 54 12 12 PRO HG2 H 1.608 0.030 2 55 12 12 PRO HG3 H 1.787 0.030 2 56 12 12 PRO CD C 50.278 0.300 1 57 12 12 PRO HD2 H 3.587 0.030 1 58 12 12 PRO HD3 H 3.587 0.030 1 59 12 12 PRO C C 176.311 0.300 1 60 13 13 TYR N N 118.293 0.300 1 61 13 13 TYR H H 7.943 0.030 1 62 13 13 TYR CA C 57.354 0.300 1 63 13 13 TYR HA H 4.622 0.030 1 64 13 13 TYR CB C 38.729 0.300 1 65 13 13 TYR HB2 H 2.966 0.030 2 66 13 13 TYR HB3 H 2.852 0.030 2 67 13 13 TYR CD1 C 133.156 0.300 1 68 13 13 TYR HD1 H 7.032 0.030 1 69 13 13 TYR CD2 C 133.156 0.300 1 70 13 13 TYR HD2 H 7.032 0.030 1 71 13 13 TYR CE1 C 118.557 0.300 1 72 13 13 TYR HE1 H 6.844 0.030 1 73 13 13 TYR CE2 C 118.557 0.300 1 74 13 13 TYR HE2 H 6.844 0.030 1 75 13 13 TYR C C 174.554 0.300 1 76 14 14 GLU N N 123.940 0.300 1 77 14 14 GLU H H 8.632 0.030 1 78 14 14 GLU CA C 54.907 0.300 1 79 14 14 GLU HA H 4.961 0.030 1 80 14 14 GLU CB C 33.273 0.300 1 81 14 14 GLU HB2 H 1.811 0.030 1 82 14 14 GLU HB3 H 1.811 0.030 1 83 14 14 GLU CG C 36.898 0.300 1 84 14 14 GLU HG2 H 1.936 0.030 1 85 14 14 GLU HG3 H 1.936 0.030 1 86 14 14 GLU C C 175.188 0.300 1 87 15 15 CYS N N 126.724 0.300 1 88 15 15 CYS H H 9.106 0.030 1 89 15 15 CYS CA C 59.792 0.300 1 90 15 15 CYS HA H 4.470 0.030 1 91 15 15 CYS CB C 29.830 0.300 1 92 15 15 CYS HB2 H 2.887 0.030 2 93 15 15 CYS HB3 H 3.375 0.030 2 94 15 15 CYS C C 176.556 0.300 1 95 16 16 ASP N N 130.840 0.300 1 96 16 16 ASP H H 9.184 0.030 1 97 16 16 ASP CA C 56.098 0.300 1 98 16 16 ASP HA H 4.423 0.030 1 99 16 16 ASP CB C 40.221 0.300 1 100 16 16 ASP HB2 H 2.775 0.030 1 101 16 16 ASP HB3 H 2.775 0.030 1 102 16 16 ASP C C 175.891 0.300 1 103 17 17 VAL N N 121.778 0.300 1 104 17 17 VAL H H 8.715 0.030 1 105 17 17 VAL CA C 65.079 0.300 1 106 17 17 VAL HA H 3.802 0.030 1 107 17 17 VAL CB C 33.070 0.300 1 108 17 17 VAL HB H 1.195 0.030 1 109 17 17 VAL CG1 C 21.360 0.300 2 110 17 17 VAL HG1 H 0.779 0.030 1 111 17 17 VAL CG2 C 20.311 0.300 2 112 17 17 VAL HG2 H 0.314 0.030 1 113 17 17 VAL C C 177.159 0.300 1 114 18 18 CYS N N 116.273 0.300 1 115 18 18 CYS H H 8.033 0.030 1 116 18 18 CYS CA C 58.364 0.300 1 117 18 18 CYS HA H 5.063 0.030 1 118 18 18 CYS CB C 32.219 0.300 1 119 18 18 CYS HB2 H 2.808 0.030 2 120 18 18 CYS HB3 H 3.433 0.030 2 121 18 18 CYS C C 175.604 0.300 1 122 19 19 ARG N N 116.989 0.300 1 123 19 19 ARG H H 8.006 0.030 1 124 19 19 ARG CA C 57.775 0.300 1 125 19 19 ARG HA H 4.185 0.030 1 126 19 19 ARG CB C 26.272 0.300 1 127 19 19 ARG HB2 H 2.149 0.030 2 128 19 19 ARG HB3 H 2.047 0.030 2 129 19 19 ARG CG C 27.048 0.300 1 130 19 19 ARG HG2 H 1.600 0.030 2 131 19 19 ARG HG3 H 1.417 0.030 2 132 19 19 ARG CD C 42.538 0.300 1 133 19 19 ARG HD2 H 3.093 0.030 2 134 19 19 ARG HD3 H 3.156 0.030 2 135 19 19 ARG C C 175.142 0.300 1 136 20 20 LYS N N 122.150 0.300 1 137 20 20 LYS H H 7.911 0.030 1 138 20 20 LYS CA C 58.232 0.300 1 139 20 20 LYS HA H 4.015 0.030 1 140 20 20 LYS CB C 33.817 0.300 1 141 20 20 LYS HB2 H 1.207 0.030 2 142 20 20 LYS HB3 H 1.460 0.030 2 143 20 20 LYS CG C 26.238 0.300 1 144 20 20 LYS HG2 H 1.036 0.030 2 145 20 20 LYS HG3 H 1.407 0.030 2 146 20 20 LYS CD C 29.356 0.300 1 147 20 20 LYS HD2 H 1.498 0.030 2 148 20 20 LYS HD3 H 1.412 0.030 2 149 20 20 LYS CE C 42.215 0.300 1 150 20 20 LYS HE2 H 2.955 0.030 2 151 20 20 LYS HE3 H 2.893 0.030 2 152 20 20 LYS C C 174.015 0.300 1 153 21 21 ALA N N 124.525 0.300 1 154 21 21 ALA H H 7.843 0.030 1 155 21 21 ALA CA C 50.504 0.300 1 156 21 21 ALA HA H 5.133 0.030 1 157 21 21 ALA CB C 22.105 0.300 1 158 21 21 ALA HB H 1.234 0.030 1 159 21 21 ALA C C 176.441 0.300 1 160 22 22 PHE N N 116.906 0.300 1 161 22 22 PHE H H 8.731 0.030 1 162 22 22 PHE CA C 57.273 0.300 1 163 22 22 PHE HA H 4.709 0.030 1 164 22 22 PHE CB C 43.819 0.300 1 165 22 22 PHE HB2 H 2.649 0.030 2 166 22 22 PHE HB3 H 3.383 0.030 2 167 22 22 PHE CD1 C 132.280 0.300 1 168 22 22 PHE HD1 H 7.200 0.030 1 169 22 22 PHE CD2 C 132.280 0.300 1 170 22 22 PHE HD2 H 7.200 0.030 1 171 22 22 PHE CE1 C 130.667 0.300 1 172 22 22 PHE HE1 H 6.826 0.030 1 173 22 22 PHE CE2 C 130.667 0.300 1 174 22 22 PHE HE2 H 6.826 0.030 1 175 22 22 PHE CZ C 128.697 0.300 1 176 22 22 PHE HZ H 6.200 0.030 1 177 22 22 PHE C C 175.611 0.300 1 178 23 23 SER CA C 60.514 0.300 1 179 23 23 SER HA H 4.552 0.030 1 180 23 23 SER CB C 63.982 0.300 1 181 23 23 SER HB2 H 3.920 0.030 2 182 23 23 SER HB3 H 3.850 0.030 2 183 23 23 SER C C 173.478 0.300 1 184 24 24 HIS N N 116.869 0.300 1 185 24 24 HIS H H 7.472 0.030 1 186 24 24 HIS CA C 55.417 0.300 1 187 24 24 HIS HA H 4.878 0.030 1 188 24 24 HIS CB C 33.557 0.300 1 189 24 24 HIS HB2 H 3.242 0.030 2 190 24 24 HIS HB3 H 2.994 0.030 2 191 24 24 HIS CD2 C 119.297 0.300 1 192 24 24 HIS HD2 H 7.159 0.030 1 193 24 24 HIS CE1 C 138.810 0.300 1 194 24 24 HIS HE1 H 7.777 0.030 1 195 24 24 HIS C C 175.289 0.300 1 196 25 25 HIS CA C 60.380 0.300 1 197 25 25 HIS HA H 3.237 0.030 1 198 25 25 HIS CB C 30.379 0.300 1 199 25 25 HIS HB2 H 2.701 0.030 2 200 25 25 HIS HB3 H 2.533 0.030 2 201 25 25 HIS CD2 C 118.434 0.300 1 202 25 25 HIS HD2 H 6.862 0.030 1 203 25 25 HIS CE1 C 138.257 0.300 1 204 25 25 HIS HE1 H 7.677 0.030 1 205 26 26 ALA CA C 54.987 0.300 1 206 26 26 ALA HA H 4.047 0.030 1 207 26 26 ALA CB C 17.884 0.300 1 208 26 26 ALA HB H 1.370 0.030 1 209 26 26 ALA C C 180.284 0.300 1 210 27 27 SER N N 112.465 0.300 1 211 27 27 SER H H 7.065 0.030 1 212 27 27 SER CA C 60.698 0.300 1 213 27 27 SER HA H 4.166 0.030 1 214 27 27 SER CB C 62.410 0.300 1 215 27 27 SER HB2 H 4.034 0.030 2 216 27 27 SER HB3 H 3.951 0.030 2 217 27 27 SER C C 176.636 0.300 1 218 28 28 LEU N N 124.235 0.300 1 219 28 28 LEU H H 7.071 0.030 1 220 28 28 LEU CA C 58.002 0.300 1 221 28 28 LEU HA H 3.173 0.030 1 222 28 28 LEU CB C 40.109 0.300 1 223 28 28 LEU HB2 H 1.910 0.030 2 224 28 28 LEU HB3 H 1.160 0.030 2 225 28 28 LEU CG C 27.494 0.300 1 226 28 28 LEU HG H 1.368 0.030 1 227 28 28 LEU CD1 C 26.295 0.300 2 228 28 28 LEU HD1 H 0.942 0.030 1 229 28 28 LEU CD2 C 22.756 0.300 2 230 28 28 LEU HD2 H 0.937 0.030 1 231 28 28 LEU C C 177.670 0.300 1 232 29 29 THR N N 114.830 0.300 1 233 29 29 THR H H 8.211 0.030 1 234 29 29 THR CA C 66.228 0.300 1 235 29 29 THR HA H 3.893 0.030 1 236 29 29 THR CB C 68.192 0.300 1 237 29 29 THR HB H 4.044 0.030 1 238 29 29 THR CG2 C 21.725 0.300 1 239 29 29 THR HG2 H 1.046 0.030 1 240 29 29 THR C C 177.331 0.300 1 241 30 30 GLN N N 120.065 0.300 1 242 30 30 GLN H H 7.587 0.030 1 243 30 30 GLN CA C 58.742 0.300 1 244 30 30 GLN HA H 3.938 0.030 1 245 30 30 GLN CB C 28.472 0.300 1 246 30 30 GLN HB2 H 2.032 0.030 2 247 30 30 GLN HB3 H 2.003 0.030 2 248 30 30 GLN CG C 33.617 0.300 1 249 30 30 GLN HG2 H 2.404 0.030 2 250 30 30 GLN HG3 H 2.348 0.030 2 251 30 30 GLN NE2 N 111.973 0.300 1 252 30 30 GLN HE21 H 6.846 0.030 2 253 30 30 GLN HE22 H 7.440 0.030 2 254 30 30 GLN C C 178.472 0.300 1 255 31 31 HIS N N 119.314 0.300 1 256 31 31 HIS H H 7.556 0.030 1 257 31 31 HIS CA C 58.950 0.300 1 258 31 31 HIS HA H 4.200 0.030 1 259 31 31 HIS CB C 28.343 0.300 1 260 31 31 HIS HB2 H 3.100 0.030 2 261 31 31 HIS HB3 H 2.873 0.030 2 262 31 31 HIS CD2 C 127.031 0.300 1 263 31 31 HIS HD2 H 6.845 0.030 1 264 31 31 HIS CE1 C 139.765 0.300 1 265 31 31 HIS HE1 H 8.011 0.030 1 266 31 31 HIS C C 176.128 0.300 1 267 32 32 GLN N N 115.215 0.300 1 268 32 32 GLN H H 8.232 0.030 1 269 32 32 GLN CA C 59.474 0.300 1 270 32 32 GLN HA H 3.602 0.030 1 271 32 32 GLN CB C 28.296 0.300 1 272 32 32 GLN HB2 H 2.264 0.030 2 273 32 32 GLN HB3 H 2.171 0.030 2 274 32 32 GLN CG C 35.466 0.300 1 275 32 32 GLN HG2 H 2.788 0.030 2 276 32 32 GLN HG3 H 2.758 0.030 2 277 32 32 GLN NE2 N 112.764 0.300 1 278 32 32 GLN HE21 H 7.045 0.030 2 279 32 32 GLN HE22 H 7.583 0.030 2 280 32 32 GLN C C 177.517 0.300 1 281 33 33 ARG N N 118.018 0.300 1 282 33 33 ARG H H 7.107 0.030 1 283 33 33 ARG CA C 58.590 0.300 1 284 33 33 ARG HA H 4.093 0.030 1 285 33 33 ARG CB C 30.049 0.300 1 286 33 33 ARG HB2 H 1.885 0.030 2 287 33 33 ARG HB3 H 1.776 0.030 2 288 33 33 ARG CG C 27.395 0.300 1 289 33 33 ARG HG2 H 1.797 0.030 2 290 33 33 ARG HG3 H 1.666 0.030 2 291 33 33 ARG CD C 43.397 0.300 1 292 33 33 ARG HD2 H 3.192 0.030 1 293 33 33 ARG HD3 H 3.192 0.030 1 294 33 33 ARG C C 178.675 0.300 1 295 34 34 VAL N N 116.143 0.300 1 296 34 34 VAL H H 7.914 0.030 1 297 34 34 VAL CA C 64.036 0.300 1 298 34 34 VAL HA H 3.908 0.030 1 299 34 34 VAL CB C 31.098 0.300 1 300 34 34 VAL HB H 1.906 0.030 1 301 34 34 VAL CG1 C 19.746 0.300 2 302 34 34 VAL HG1 H 0.614 0.030 1 303 34 34 VAL CG2 C 19.484 0.300 2 304 34 34 VAL HG2 H 0.470 0.030 1 305 34 34 VAL C C 177.283 0.300 1 306 35 35 HIS N N 116.733 0.300 1 307 35 35 HIS H H 7.116 0.030 1 308 35 35 HIS CA C 54.703 0.300 1 309 35 35 HIS HA H 4.904 0.030 1 310 35 35 HIS CB C 28.407 0.300 1 311 35 35 HIS HB2 H 3.397 0.030 2 312 35 35 HIS HB3 H 3.228 0.030 2 313 35 35 HIS CD2 C 127.527 0.300 1 314 35 35 HIS HD2 H 6.690 0.030 1 315 35 35 HIS CE1 C 140.285 0.300 1 316 35 35 HIS HE1 H 8.087 0.030 1 317 35 35 HIS C C 175.439 0.300 1 318 36 36 SER N N 114.877 0.300 1 319 36 36 SER H H 7.726 0.030 1 320 36 36 SER CA C 59.166 0.300 1 321 36 36 SER HA H 4.425 0.030 1 322 36 36 SER CB C 63.898 0.300 1 323 36 36 SER HB2 H 3.907 0.030 1 324 36 36 SER HB3 H 3.907 0.030 1 325 36 36 SER C C 175.093 0.300 1 326 37 37 GLY N N 110.867 0.300 1 327 37 37 GLY H H 8.365 0.030 1 328 37 37 GLY CA C 45.313 0.300 1 329 37 37 GLY HA2 H 3.980 0.030 1 330 37 37 GLY HA3 H 3.980 0.030 1 331 37 37 GLY C C 174.083 0.300 1 332 38 38 GLU N N 120.469 0.300 1 333 38 38 GLU H H 8.039 0.030 1 334 38 38 GLU CA C 56.391 0.300 1 335 38 38 GLU HA H 4.249 0.030 1 336 38 38 GLU CB C 30.526 0.300 1 337 38 38 GLU HB2 H 1.908 0.030 2 338 38 38 GLU HB3 H 1.996 0.030 2 339 38 38 GLU CG C 36.275 0.300 1 340 38 38 GLU HG2 H 2.242 0.030 2 341 38 38 GLU HG3 H 2.201 0.030 2 342 38 38 GLU C C 176.248 0.300 1 343 39 39 LYS N N 123.743 0.300 1 344 39 39 LYS H H 8.418 0.030 1 345 39 39 LYS CA C 54.112 0.300 1 346 39 39 LYS HA H 4.600 0.030 1 347 39 39 LYS CB C 32.515 0.300 1 348 39 39 LYS HB2 H 1.718 0.030 2 349 39 39 LYS HB3 H 1.807 0.030 2 350 39 39 LYS CG C 24.490 0.300 1 351 39 39 LYS HG2 H 1.449 0.030 1 352 39 39 LYS HG3 H 1.449 0.030 1 353 39 39 LYS CD C 29.195 0.300 1 354 39 39 LYS HD2 H 1.679 0.030 1 355 39 39 LYS HD3 H 1.679 0.030 1 356 39 39 LYS CE C 42.215 0.300 1 357 39 39 LYS HE2 H 2.984 0.030 1 358 39 39 LYS HE3 H 2.984 0.030 1 359 39 39 LYS C C 174.467 0.300 1 360 40 40 PRO CA C 63.226 0.300 1 361 40 40 PRO HA H 4.454 0.030 1 362 40 40 PRO CB C 32.184 0.300 1 363 40 40 PRO HB2 H 2.297 0.030 2 364 40 40 PRO HB3 H 1.925 0.030 2 365 40 40 PRO CG C 27.455 0.300 1 366 40 40 PRO HG2 H 2.021 0.030 2 367 40 40 PRO HG3 H 1.995 0.030 2 368 40 40 PRO CD C 50.671 0.300 1 369 40 40 PRO HD2 H 3.809 0.030 2 370 40 40 PRO HD3 H 3.631 0.030 2 stop_ save_